SCHEMBL7744824

SCHEMBL7744824

NC(=O)c1ccccc1OCc1ccoc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.62
AKR1C1 Q04828 1/20 0.53
HTT P42858 3/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NR1I2 O75469 1/20 0.48
CHRM2 P08172 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADRA2A P08913 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
PARP2 Q9UGN5 2/20 0.46
POLB P06746 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL718082 0.81 PARP1 (0.79) PARP1AKR1C1HTTLMNAMEN1
SCHEMBL8808485 0.76 APP (0.56) LMNAMAPT
SCHEMBL12505427 0.75 PARP1 (0.64) PARP1AKR1C1HTTLMNAMEN1
SCHEMBL14587482 0.74 ALOX5 (0.51) LMNARAB9ANPC1
SCHEMBL29818273 0.74 ALOX5 (0.45) PARP1AKR1C1HTTLMNAMEN1
SCHEMBL7390738 0.73 PARP1 (0.67) PARP1AKR1C1HTTLMNAMEN1
SCHEMBL30849274 0.73 PARP1 (0.71) PARP1AKR1C1HTTLMNAMEN1
SCHEMBL27537822 0.73 MAPT (0.62) PARP1AKR1C1HTTLMNAMEN1
SCHEMBL9454133 0.73 ALDH1A1 (0.56) HTTLMNAKMT2AMAPTKDM4E
SCHEMBL11547493 0.73 KDM4E (0.66) PARP1HTTLMNAMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002532415-A 2002-10-02 JP claimed
EP-1143957-A3 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-02-27 EP claimed
EP-1143957-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP claimed
EP-1140067-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP claimed
WO-2000040237-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO claimed
WO-2000035436-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-06-22 WO claimed
EP-0993439-A1 4-BROMO OR 4-IODO PHENYLAMINO BENZHYDROXAMIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-04-19 EP claimed
WO-1999001426-A1 4-BROMO OR 4-IODO PHENYLAMINO BENZHYDROXAMIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-01-14 WO claimed